1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine

C7H13N3OS2 — CID 107511336

IUPAC1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
SMILESCNC(COC)CSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-8-6(3-11-2)4-12-7-10-9-5-13-7/h5-6,8H,3-4H2,1-2H3
InChIKeyMLVIIAKFYBSARY-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.86
Rot. Bonds6

About 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine

1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine (PubChem CID 107511336) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
PubChem CID107511336
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
SMILESCNC(COC)CSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-8-6(3-11-2)4-12-7-10-9-5-13-7/h5-6,8H,3-4H2,1-2H3
InChIKeyMLVIIAKFYBSARY-UHFFFAOYSA-N
XLogP0.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64648403
N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64649193
methyl 2-bromo-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 81091503
5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107511194
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
CID 130658941
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64650748
1-(1,3-benzothiazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107511245
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576429
2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
CID 63033794
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107784074

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine (CID 107511336) is 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine is CNC(COC)CSc1nncs1.
What is the InChIKey of 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
The InChIKey is MLVIIAKFYBSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-8-6(3-11-2)4-12-7-10-9-5-13-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine?
1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 107511336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).